#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000548.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2000548
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1853
_journal_page_last  1855
loop_
_publ_author_name
 'Wang, J.-L.'
 'Zhang, L.-J.'
 'Miao, F.-M.'
 'Sun, H.-D.'
 'Gong, Y.-H.'
_chemical_formula_sum  'C22 H32 O6'
_chemical_formula_weight  392.50
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  6.739(5)
_cell_length_b  16.963(6)
_cell_length_c  17.094(6)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1954.0(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.334
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  848
_exptl_absorpt_coefficient_mu  0.7431
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.5410
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O(1) .5830(10)
     .8500(3) .2796(4)
 O(2) .0990(10)
     .9723(3) .4959(3)
 O(3) .5700(10)
     1.0615(3) .4573(3)
 O(4) .2740(10)
     1.1885(3) .2366(3)
 O(5) .5190(10)
     1.2117(3) .4117(4)
 O(6) .1880(10)
     .8955(4) .5962(3)
 C(1) .2630(10)
     .9595(4) .2411(4)
 C(2) .252(2) .8693(5) .2335(5)
 C(3) .381(2) .8292(4) .2941(5)
 C(4) .322(2) .8514(4) .3770(5)
 C(5) .3180(10)
     .9437(4) .3832(4)
 C(6) .3000(10)
     .9760(5) .4654(4)
 C(7) .3620(10)
     1.0621(5) .4695(5)
 C(8) .2520(10)
     1.1141(4) .4108(4)
 C(9) .2500(10)
     1.0775(4) .3274(4)
 C(10) .1920(10)
      .9885(4) .3213(4)
 C(11) .1370(10)
      1.1309(4) .2692(5)
 C(12) -.039(2) 1.1771(4) .3034(5)
 C(13) .0010(10)
      1.2078(4) .3848(5)
 C(14) .043(2) 1.1377(4) .4383(4)
 C(15) .3440(10)
      1.1968(4) .4043(4)
 C(16) .185(2) 1.2549(4) .3903(5)
 C(17) .217(2) 1.3315(5) .3877(5)
 C(18) .126(2) .8100(5) .3978(5)
 C(19) .477(2) .8186(5) .4326(5)
 C(20) -.035(2) .9762(4) .3269(5)
 C(21) .062(2) .9321(5) .5612(5)
 C(22) -.148(2) .9375(6) .5848(5)
 H(1) .620(10)
    .812(4) .266(4)
 H(3) .610(10)
    1.077(4) .407(4)
 H(4) .300(10)
    1.171(4) .194(4)
 H(11) .180(10)
     .982(5) .196(5)
 H(12) .420(10)
     .975(3) .233(3)
 H(21) .310(10)
     .856(3) .183(4)
 H(22) .100(10)
     .854(4) .238(4)
 H(31) .360(10)
     .770(4) .289(4)
 H(51) .460(10)
     .960(4) .366(4)
 H(61) .380(10)
     .948(4) .505(4)
 H(71) .350(10)
     1.084(4) .519(5)
 H(91) .380(10)
     1.081(3) .312(3)
 H(111) .090(10)
      1.106(4) .220(4)
 H(121) -.140(10)
       1.148(5) .298(5)
 H(122) -.070(10)
       1.222(5) .256(5)
 H(131) -.117(9) 1.233(3) .401(3)
 H(141) -.070(10)
       1.099(4) .432(4)
 H(142) .057(9) 1.154(4) .495(4)
 H(171) .360(10)
      1.346(4) .384(4)
 H(172) .080(10)
      1.369(4) .384(4)
 H(181) .100(10)
      .828(4) .447(4)
 H(182) .170(10)
      .750(4) .398(4)
 H(183) .030(10)
      .816(4) .363(4)
 H(191) .430(10)
      .822(4) .485(4)
 H(192) .530(10)
      .763(4) .421(4)
 H(193) .600(10)
      .842(4) .425(4)
 H(201) -.080(10)
       .983(4) .386(4)
 H(202) -.060(10)
       .928(4) .305(4)
 H(203) -.110(10)
       1.008(5) .287(5)
 H(221) -.220(10)
       .970(5) .547(5)
 H(222) -.160(10)
       .942(4) .633(4)
 H(223) -.200(10)
       .883(4) .574(4)